tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate

C20H25NO2 — CID 15262707

IUPACtert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate
SMILESCc1c2c(n(C(=O)OC(C)(C)C)c1Cc1ccccc1)CCC2
InChIInChI=1S/C20H25NO2/c1-14-16-11-8-12-17(16)21(19(22)23-20(2,3)4)18(14)13-15-9-6-5-7-10-15/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyCHFMYGDJZPLWFW-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.66
Rot. Bonds2

About tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate

tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate (PubChem CID 15262707) has the molecular formula C20H25NO2 and a molecular weight of 311.42 g/mol. Its IUPAC name is tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate
PubChem CID15262707
Molecular FormulaC20H25NO2
Molecular Weight311.42 g/mol
Exact Mass311.19
IUPAC Nametert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate
SMILESCc1c2c(n(C(=O)OC(C)(C)C)c1Cc1ccccc1)CCC2
InChIInChI=1S/C20H25NO2/c1-14-16-11-8-12-17(16)21(19(22)23-20(2,3)4)18(14)13-15-9-6-5-7-10-15/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyCHFMYGDJZPLWFW-UHFFFAOYSA-N
XLogP4.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate (CID 15262707) is tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate is Cc1c2c(n(C(=O)OC(C)(C)C)c1Cc1ccccc1)CCC2.
What is the InChIKey of tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate?
The InChIKey is CHFMYGDJZPLWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-16-11-8-12-17(16)21(19(22)23-20(2,3)4)18(14)13-15-9-6-5-7-10-15/h5-7,9-10H,8,11-13H2,1-4H3.
What are the key properties of tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate?
tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate has a molecular weight of 311.42 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-benzyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-1-carboxylate is sourced from PubChem (CID 15262707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).